==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1 ==== DATE=2018-05-17 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIFREEZE PROTEIN 19-SEP-17 6EIO . COMPND MOL_ID: 1; MOLECULE: ANTIFREEZE PROTEIN; CHAIN: A; ENGINEERED: YES; OT . SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; ORGANISM_TAXID: . AUTHOR M.NARDINI,M.MANGIAGALLI,V.NARDONE,M.BAR DOLEV,V.F.VENA,G.SARUSI, I.BRA . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8699.8 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 41.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 31 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 8 4 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA CHAIN AUTHCHAIN 1 38 A T 0 0 146 0, 0.0 2,-0.5 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 110.1 -3.9 -19.0 -31.4 A A 2 39 A V - 0 0 138 98,-0.1 98,-0.0 0, 0.0 0, 0.0 -0.926 360.0-151.9-116.6 121.6 -2.1 -22.3 -31.3 A A 3 40 A I - 0 0 35 -2,-0.5 90,-0.0 98,-0.1 98,-0.0 -0.792 13.7-145.8 -95.9 115.8 1.1 -22.8 -29.1 A A 4 41 A P - 0 0 74 0, 0.0 2,-0.6 0, 0.0 99,-0.3 -0.253 23.4-104.3 -75.7 169.7 3.6 -25.4 -30.4 A A 5 42 A L - 0 0 115 97,-0.1 2,-0.1 100,-0.0 100,-0.1 -0.862 35.6-142.4 -99.7 117.5 5.7 -27.6 -28.1 A A 6 43 A Q - 0 0 18 -2,-0.6 84,-0.1 98,-0.6 85,-0.0 -0.401 14.6-164.2 -78.3 151.7 9.3 -26.5 -27.8 A A 7 44 A T + 0 0 121 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.721 61.4 98.2-102.8 -29.8 12.3 -28.8 -27.5 A A 8 45 A T S S- 0 0 54 1,-0.1 2,-0.7 98,-0.1 98,-0.1 -0.406 70.1-138.6 -63.6 131.4 14.9 -26.4 -26.3 A A 9 46 A V - 0 0 129 -2,-0.1 2,-0.3 96,-0.1 -1,-0.1 -0.818 13.2-143.2 -92.9 113.8 15.3 -26.7 -22.6 A A 10 47 A Q - 0 0 18 -2,-0.7 121,-0.2 121,-0.4 3,-0.1 -0.587 12.9-134.3 -73.5 136.8 15.7 -23.2 -20.9 A A 11 48 A T - 0 0 85 -2,-0.3 -1,-0.0 1,-0.2 119,-0.0 -0.499 35.6 -87.7 -77.7 158.9 18.1 -23.1 -18.0 A A 12 49 A P - 0 0 51 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.259 40.0-115.9 -59.1 156.5 16.9 -21.3 -14.8 A A 13 50 A I - 0 0 1 -3,-0.1 2,-0.2 2,-0.0 65,-0.1 -0.892 29.1-128.5 -96.2 112.7 17.7 -17.6 -14.7 A A 14 51 A T - 0 0 107 -2,-0.7 67,-0.1 1,-0.2 -3,-0.0 -0.466 24.8-175.9 -62.0 125.6 20.1 -17.0 -11.8 A A 15 52 A L > - 0 0 5 1,-0.2 3,-2.3 -2,-0.2 -1,-0.2 0.439 17.5-169.2-100.6 -5.5 18.8 -14.2 -9.6 A A 16 53 A G G > + 0 0 40 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 -0.221 69.4 0.6 56.1-134.4 21.8 -14.1 -7.3 A A 17 54 A S G 3 S+ 0 0 39 1,-0.3 3,-0.3 53,-0.2 -1,-0.3 0.497 124.8 71.7 -71.7 -0.6 21.3 -12.0 -4.2 A A 18 55 A A G X S+ 0 0 0 -3,-2.3 3,-1.8 53,-0.2 -1,-0.3 0.553 70.0 94.7 -82.3 -6.8 17.7 -11.3 -5.2 A A 19 56 A N T < S+ 0 0 37 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.781 85.5 43.6 -64.6 -31.0 16.5 -14.8 -4.5 A A 20 57 A N T 3 S+ 0 0 91 -3,-0.3 20,-2.1 19,-0.1 2,-0.4 0.411 95.4 97.7 -94.6 4.6 15.3 -14.2 -1.0 A A 21 58 A F E < -a 40 0A 3 -3,-1.8 20,-0.2 18,-0.2 3,-0.1 -0.778 48.7-172.0 -89.2 133.5 13.6 -10.9 -1.8 A A 22 59 A A E S+ 0 0A 1 18,-2.1 175,-2.5 -2,-0.4 2,-0.4 0.759 80.8 20.5 -81.4 -33.4 9.8 -10.9 -2.5 A A 23 60 A V E +ab 41 197A 0 17,-1.7 19,-2.4 173,-0.2 2,-0.3 -0.997 62.0 173.5-142.7 132.6 10.0 -7.2 -3.7 A A 24 61 A I E +ab 42 198A 2 173,-2.5 175,-3.0 -2,-0.4 2,-0.3 -0.994 8.0 179.3-135.5 139.2 12.8 -4.9 -4.9 A A 25 62 A A E -a 43 0A 0 17,-2.1 19,-1.7 -2,-0.3 178,-0.2 -0.891 20.8-154.6-130.2 167.4 12.5 -1.4 -6.3 A A 26 63 A G S S+ 0 0 1 176,-2.4 20,-2.8 -2,-0.3 177,-0.2 0.834 88.0 23.2-103.3 -54.3 14.9 1.2 -7.6 A A 27 64 A S S S- 0 0 54 175,-2.1 21,-0.5 1,-0.3 20,-0.5 0.895 122.7 -38.0 -90.4 -42.6 13.4 4.7 -7.1 A A 28 65 A S E -m 48 0B 34 174,-0.4 176,-1.7 18,-0.2 2,-0.4 -0.970 43.0-128.0-169.2 167.8 10.8 4.3 -4.3 A A 29 66 A V E -mn 49 204B 0 19,-2.3 21,-2.5 -2,-0.3 2,-0.4 -0.999 21.7-173.5-127.1 134.7 8.2 2.0 -2.7 A A 30 67 A T E -mn 50 205B 65 174,-2.3 176,-2.6 -2,-0.4 2,-0.4 -0.995 4.3-177.4-130.6 129.2 4.7 3.2 -2.0 A A 31 68 A N E - n 0 206B 8 19,-1.5 2,-0.4 -2,-0.4 176,-0.2 -0.963 10.6-166.3-126.6 145.3 2.1 1.2 -0.1 A A 32 69 A T E - n 0 207B 72 174,-1.6 176,-2.4 -2,-0.4 3,-0.2 -0.992 56.3 -16.5-123.3 132.1 -1.5 1.8 0.8 A A 33 70 A G S S- 0 0 30 -2,-0.4 2,-1.9 174,-0.2 176,-0.1 -0.093 108.8 -19.1 72.2-170.0 -3.4 -0.3 3.3 A A 34 71 A A S S+ 0 0 84 21,-0.1 -1,-0.2 174,-0.1 21,-0.1 -0.146 71.1 162.0 -81.2 45.3 -2.8 -3.8 4.9 A A 35 72 A T - 0 0 1 -2,-1.9 21,-2.8 -3,-0.2 2,-0.4 -0.323 22.1-157.2 -54.2 143.0 -0.3 -5.3 2.4 A A 36 73 A N E -cd 56 210A 59 173,-2.6 175,-2.5 19,-0.2 2,-0.5 -0.994 8.1-169.8-129.7 127.7 1.6 -8.2 3.8 A A 37 74 A I E -cd 57 211A 0 19,-2.2 21,-3.3 -2,-0.4 2,-0.7 -0.971 7.3-167.1-113.9 126.2 5.0 -9.3 2.4 A A 38 75 A T E +cd 58 212A 57 173,-2.5 175,-0.6 -2,-0.5 2,-0.2 -0.934 68.3 42.2-110.3 103.4 6.6 -12.6 3.4 A A 39 76 A G S S- 0 0 11 19,-2.0 -18,-0.2 -2,-0.7 2,-0.1 -0.800 101.9 -51.9 141.8 173.4 10.1 -12.3 2.2 A A 40 77 A D E -a 21 0A 38 -20,-2.1 -18,-2.1 -2,-0.2 -17,-1.7 -0.448 43.0-146.8 -84.6 158.4 12.7 -9.6 2.1 A A 41 78 A L E -ae 23 61A 2 19,-2.2 21,-2.9 -20,-0.2 2,-0.3 -0.992 17.6-171.4-127.1 124.2 12.1 -6.0 0.7 A A 42 79 A G E +ae 24 62A 1 -19,-2.4 -17,-2.1 -2,-0.4 2,-0.3 -0.912 12.9 178.2-123.3 148.8 14.8 -4.1 -1.0 A A 43 80 A L E -ae 25 63A 1 19,-2.3 21,-2.3 -2,-0.3 -17,-0.2 -0.964 14.1-173.2-147.0 126.8 15.3 -0.5 -2.3 A A 44 81 A S + 0 0 10 -19,-1.7 3,-0.1 -2,-0.3 -16,-0.1 -0.823 64.7 0.2-170.0 136.0 18.4 1.0 -3.9 A A 45 82 A P S S+ 0 0 99 0, 0.0 -18,-0.2 0, 0.0 -19,-0.1 -0.994 116.4 74.7 -89.5 -1.4 19.5 3.6 -4.9 A A 46 83 A G - 0 0 15 -20,-2.8 -18,-0.2 1,-0.1 18,-0.1 -0.123 60.9-156.4 -64.5 168.9 16.2 5.3 -3.8 A A 47 84 A T + 0 0 108 -20,-0.5 2,-0.6 -3,-0.1 -19,-0.1 0.631 55.6 95.1-120.6 -21.4 15.5 6.0 -0.2 A A 48 85 A S E +m 28 0B 68 -21,-0.5 -19,-2.3 2,-0.0 2,-0.5 -0.724 33.7 168.5 -95.7 120.3 11.7 6.4 0.3 A A 49 86 A I E -m 29 0B 38 -2,-0.6 2,-0.3 -21,-0.2 3,-0.3 -0.989 18.4-170.2-119.2 118.7 9.4 3.6 1.4 A A 50 87 A G E +m 30 0B 27 -21,-2.5 -19,-1.5 -2,-0.5 -2,-0.0 -0.814 53.2 32.9-107.3 147.3 6.0 4.8 2.3 A A 51 88 A G > + 0 0 24 -2,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.623 62.0 144.4 93.5 16.9 3.1 3.0 4.0 A A 52 89 A F T 4 + 0 0 54 -3,-0.3 -1,-0.1 1,-0.3 4,-0.1 -0.913 62.4 60.7-121.2 101.3 4.6 0.5 6.4 A A 53 90 A P T 4 S+ 0 0 114 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.579 106.4 32.7 -74.4 166.2 2.5 0.7 8.6 A A 54 91 A P T 4 S+ 0 0 74 0, 0.0 -2,-0.2 0, 0.0 -22,-0.1 -0.992 119.3 67.2 -78.6 -12.7 -0.2 -0.1 7.7 A A 55 92 A G S < S- 0 0 4 -4,-3.0 2,-0.4 -21,-0.1 -19,-0.2 -0.368 77.3-145.3 -62.5 152.4 1.7 -2.5 5.4 A A 56 93 A I E -c 36 0A 100 -21,-2.8 -19,-2.2 -4,-0.1 2,-0.6 -0.979 7.1-156.1-127.6 132.3 3.6 -5.3 7.2 A A 57 94 A L E -c 37 0A 41 -2,-0.4 2,-1.0 -21,-0.2 -19,-0.2 -0.939 6.2-171.8-107.5 111.7 6.9 -6.8 6.3 A A 58 95 A N E S+c 38 0A 103 -21,-3.3 -19,-2.0 -2,-0.6 2,-0.3 -0.813 74.1 44.5 -97.4 83.4 7.4 -10.4 7.6 A A 59 96 A G S S- 0 0 33 -2,-1.0 2,-0.4 -21,-0.2 -19,-0.2 -0.948 102.0 -57.4 160.9-175.7 11.0 -10.2 6.4 A A 60 97 A T - 0 0 77 -2,-0.3 -19,-2.2 2,-0.0 2,-0.5 -0.864 37.5-136.8-108.4 135.0 14.0 -7.9 6.4 A A 61 98 A L E -e 41 0A 82 -2,-0.4 2,-0.5 -21,-0.2 -19,-0.2 -0.775 20.1-172.5 -88.1 124.8 14.0 -4.4 5.0 A A 62 99 A H E +e 42 0A 18 -21,-2.9 -19,-2.3 -2,-0.5 2,-0.5 -0.939 8.0 172.5-125.5 104.3 17.2 -3.6 3.0 A A 63 100 A I E S-e 43 0A 59 -2,-0.5 -19,-0.2 -21,-0.2 3,-0.1 -0.960 73.0 -28.8-117.9 113.5 17.6 0.0 1.8 A A 64 101 A N S S+ 0 0 61 -21,-2.3 2,-0.2 -2,-0.5 -1,-0.1 0.806 104.5 128.7 53.8 35.7 20.9 1.1 0.2 A A 65 102 A D S > S- 0 0 55 -22,-0.2 4,-2.8 1,-0.0 5,-0.3 -0.480 77.7 -85.2-110.9-178.0 22.8 -1.6 2.2 A A 66 103 A A H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.928 126.0 43.2 -58.5 -46.9 25.2 -4.3 1.1 A A 67 104 A I H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.936 115.5 47.5 -68.7 -44.9 22.5 -6.9 0.2 A A 68 105 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 112.0 50.4 -62.0 -42.3 20.2 -4.4 -1.6 A A 69 106 A N H X S+ 0 0 70 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.923 113.2 45.0 -64.9 -41.5 23.0 -2.9 -3.6 A A 70 107 A Q H X S+ 0 0 90 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.896 108.9 57.7 -66.5 -37.1 24.2 -6.4 -4.7 A A 71 108 A A H X S+ 0 0 1 -4,-2.6 4,-2.4 -54,-0.2 -2,-0.2 0.880 103.1 53.4 -63.4 -35.3 20.7 -7.4 -5.4 A A 72 109 A K H X S+ 0 0 23 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.932 110.1 47.3 -63.3 -43.7 20.3 -4.5 -7.9 A A 73 110 A L H X S+ 0 0 104 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.910 113.3 49.7 -59.5 -40.9 23.4 -5.6 -9.7 A A 74 111 A D H X S+ 0 0 33 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.839 108.2 50.9 -74.5 -30.4 22.1 -9.2 -9.8 A A 75 112 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.845 108.3 53.5 -75.2 -29.6 18.7 -8.2 -11.1 A A 76 113 A T H X S+ 0 0 42 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.954 110.5 47.6 -61.3 -46.2 20.4 -6.3 -13.9 A A 77 114 A T H X S+ 0 0 88 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.935 114.1 46.4 -57.5 -47.1 22.3 -9.5 -14.7 A A 78 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.904 111.7 51.0 -64.7 -42.5 19.1 -11.5 -14.6 A A 79 116 A Y H X S+ 0 0 21 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.934 112.6 45.7 -58.1 -48.2 17.2 -9.1 -16.7 A A 80 117 A N H X S+ 0 0 86 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.891 112.5 51.2 -66.4 -38.7 19.9 -9.0 -19.4 A A 81 118 A D H X S+ 0 0 55 -4,-2.5 4,-1.0 -5,-0.2 3,-0.5 0.972 112.8 45.6 -58.7 -53.2 20.2 -12.8 -19.3 A A 82 119 A A H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.913 114.1 48.4 -56.6 -46.2 16.4 -13.2 -19.8 A A 83 120 A A H 3< S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.755 110.0 52.2 -69.9 -26.4 16.3 -10.6 -22.5 A A 84 121 A A H 3< S+ 0 0 73 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.604 79.7 116.6 -87.4 -12.5 19.2 -12.1 -24.5 A A 85 122 A R << + 0 0 28 -4,-1.0 2,-0.3 -3,-0.7 50,-0.0 -0.300 38.3 174.2 -63.9 140.3 17.9 -15.6 -24.7 A A 86 123 A V + 0 0 117 4,-0.0 2,-0.3 20,-0.0 -2,-0.0 -0.982 9.4 175.1-139.9 151.9 17.2 -17.0 -28.2 A A 87 124 A A > - 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